2-chloro-4-fluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide

C16H14ClFN6O — CID 16654523

IUPAC2-chloro-4-fluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
SMILESO=C(NCCNc1ccc(-n2cccn2)nn1)c1ccc(F)cc1Cl
InChIInChI=1S/C16H14ClFN6O/c17-13-10-11(18)2-3-12(13)16(25)20-8-7-19-14-4-5-15(23-22-14)24-9-1-6-21-24/h1-6,9-10H,7-8H2,(H,19,22)(H,20,25)
InChIKeyIRHIQCNLAKCAQF-UHFFFAOYSA-N
MW360.78 g/mol
LogP2.30
Rot. Bonds6

About 2-chloro-4-fluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide

2-chloro-4-fluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide (PubChem CID 16654523) has the molecular formula C16H14ClFN6O and a molecular weight of 360.78 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
PubChem CID16654523
Molecular FormulaC16H14ClFN6O
Molecular Weight360.78 g/mol
Exact Mass360.09
IUPAC Name2-chloro-4-fluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
SMILESO=C(NCCNc1ccc(-n2cccn2)nn1)c1ccc(F)cc1Cl
InChIInChI=1S/C16H14ClFN6O/c17-13-10-11(18)2-3-12(13)16(25)20-8-7-19-14-4-5-15(23-22-14)24-9-1-6-21-24/h1-6,9-10H,7-8H2,(H,19,22)(H,20,25)
InChIKeyIRHIQCNLAKCAQF-UHFFFAOYSA-N
XLogP2.30
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.78
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]-2-(trifluoromethyl)benzamide
CID 16654512
3-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 56699820
2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide
CID 16654552
5-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
CID 122292729
3-(3-chlorophenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292804
2-(2,4-dichlorophenoxy)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292661
2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292745
1-(3-fluoro-4-methylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 47000825
2-chloro-4-fluoro-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 56919507
2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292649
2-chloro-4-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzamide
CID 71800122
3,5-difluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
CID 122292893

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide (CID 16654523) is 2-chloro-4-fluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide is O=C(NCCNc1ccc(-n2cccn2)nn1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide?
The InChIKey is IRHIQCNLAKCAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN6O/c17-13-10-11(18)2-3-12(13)16(25)20-8-7-19-14-4-5-15(23-22-14)24-9-1-6-21-24/h1-6,9-10H,7-8H2,(H,19,22)(H,20,25).
What are the key properties of 2-chloro-4-fluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide?
2-chloro-4-fluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide has a molecular weight of 360.78 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide is sourced from PubChem (CID 16654523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).